SCHEMBL10126902

SCHEMBL10126902

CN1CCN(c2ccc([N+](=O)[O-])cc2NS(C)(=O)=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 17/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 3/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23683001 0.84 WDR5 (0.63) WDR5GAAKMT2AALDH1A1CYP2D6
SCHEMBL282334 0.80 WDR5 (0.73) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879000 0.80 WDR5 (0.73) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL10126898 0.79 KDM4E (0.54) WDR5GAAKMT2AALDH1A1HTT
SCHEMBL15961410 0.78 WDR5 (0.67) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30921387 0.78 WDR5 (0.57) WDR5GAAKMT2AALDH1A1CYP2D6
SCHEMBL10126983 0.77 HTT (0.64) WDR5GAAKMT2AALDH1A1CYP2D6
SCHEMBL29891168 0.77 WDR5 (0.65) WDR5GAAKMT2AALDH1A1CYP2D6
SCHEMBL30878707 0.77 WDR5 (0.69) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL24429910 0.77 WDR5 (0.65) WDR5GAAKMT2AALDH1A1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 WDR5 1248/4885GAA 3821/4885KMT2A 103/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 WDR5 1248/4885GAA 3821/4885KMT2A 103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.